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SMILES: Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50574860   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50574860
PNG
(CHEMBL4859017)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(8.47,-3.48,;7.14,-4.25,;5.8,-3.49,;4.47,-4.26,;4.48,-5.79,;5.81,-6.57,;7.15,-5.79,;8.48,-6.56,;8.48,-8.1,;9.81,-8.87,;11.14,-8.09,;12.48,-8.86,;11.14,-6.54,;9.8,-5.78,;12.46,-5.77,;12.46,-4.23,;13.8,-6.53,;14.57,-7.86,;15.34,-6.52,;3.14,-6.56,;1.6,-6.56,;2.38,-5.23,;3.15,-8.11,;4.49,-8.87,;5.82,-8.1,;7.15,-8.87,;7.15,-10.41,;8.48,-11.19,;5.82,-11.18,;4.49,-10.41,)|
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n/an/a 24n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50574860
PNG
(CHEMBL4859017)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(8.47,-3.48,;7.14,-4.25,;5.8,-3.49,;4.47,-4.26,;4.48,-5.79,;5.81,-6.57,;7.15,-5.79,;8.48,-6.56,;8.48,-8.1,;9.81,-8.87,;11.14,-8.09,;12.48,-8.86,;11.14,-6.54,;9.8,-5.78,;12.46,-5.77,;12.46,-4.23,;13.8,-6.53,;14.57,-7.86,;15.34,-6.52,;3.14,-6.56,;1.6,-6.56,;2.38,-5.23,;3.15,-8.11,;4.49,-8.87,;5.82,-8.1,;7.15,-8.87,;7.15,-10.41,;8.48,-11.19,;5.82,-11.18,;4.49,-10.41,)|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50574860
PNG
(CHEMBL4859017)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(8.47,-3.48,;7.14,-4.25,;5.8,-3.49,;4.47,-4.26,;4.48,-5.79,;5.81,-6.57,;7.15,-5.79,;8.48,-6.56,;8.48,-8.1,;9.81,-8.87,;11.14,-8.09,;12.48,-8.86,;11.14,-6.54,;9.8,-5.78,;12.46,-5.77,;12.46,-4.23,;13.8,-6.53,;14.57,-7.86,;15.34,-6.52,;3.14,-6.56,;1.6,-6.56,;2.38,-5.23,;3.15,-8.11,;4.49,-8.87,;5.82,-8.1,;7.15,-8.87,;7.15,-10.41,;8.48,-11.19,;5.82,-11.18,;4.49,-10.41,)|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50574860
PNG
(CHEMBL4859017)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(8.47,-3.48,;7.14,-4.25,;5.8,-3.49,;4.47,-4.26,;4.48,-5.79,;5.81,-6.57,;7.15,-5.79,;8.48,-6.56,;8.48,-8.1,;9.81,-8.87,;11.14,-8.09,;12.48,-8.86,;11.14,-6.54,;9.8,-5.78,;12.46,-5.77,;12.46,-4.23,;13.8,-6.53,;14.57,-7.86,;15.34,-6.52,;3.14,-6.56,;1.6,-6.56,;2.38,-5.23,;3.15,-8.11,;4.49,-8.87,;5.82,-8.1,;7.15,-8.87,;7.15,-10.41,;8.48,-11.19,;5.82,-11.18,;4.49,-10.41,)|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50574860
PNG
(CHEMBL4859017)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(8.47,-3.48,;7.14,-4.25,;5.8,-3.49,;4.47,-4.26,;4.48,-5.79,;5.81,-6.57,;7.15,-5.79,;8.48,-6.56,;8.48,-8.1,;9.81,-8.87,;11.14,-8.09,;12.48,-8.86,;11.14,-6.54,;9.8,-5.78,;12.46,-5.77,;12.46,-4.23,;13.8,-6.53,;14.57,-7.86,;15.34,-6.52,;3.14,-6.56,;1.6,-6.56,;2.38,-5.23,;3.15,-8.11,;4.49,-8.87,;5.82,-8.1,;7.15,-8.87,;7.15,-10.41,;8.48,-11.19,;5.82,-11.18,;4.49,-10.41,)|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50574860
PNG
(CHEMBL4859017)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(8.47,-3.48,;7.14,-4.25,;5.8,-3.49,;4.47,-4.26,;4.48,-5.79,;5.81,-6.57,;7.15,-5.79,;8.48,-6.56,;8.48,-8.1,;9.81,-8.87,;11.14,-8.09,;12.48,-8.86,;11.14,-6.54,;9.8,-5.78,;12.46,-5.77,;12.46,-4.23,;13.8,-6.53,;14.57,-7.86,;15.34,-6.52,;3.14,-6.56,;1.6,-6.56,;2.38,-5.23,;3.15,-8.11,;4.49,-8.87,;5.82,-8.1,;7.15,-8.87,;7.15,-10.41,;8.48,-11.19,;5.82,-11.18,;4.49,-10.41,)|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50574860
PNG
(CHEMBL4859017)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(8.47,-3.48,;7.14,-4.25,;5.8,-3.49,;4.47,-4.26,;4.48,-5.79,;5.81,-6.57,;7.15,-5.79,;8.48,-6.56,;8.48,-8.1,;9.81,-8.87,;11.14,-8.09,;12.48,-8.86,;11.14,-6.54,;9.8,-5.78,;12.46,-5.77,;12.46,-4.23,;13.8,-6.53,;14.57,-7.86,;15.34,-6.52,;3.14,-6.56,;1.6,-6.56,;2.38,-5.23,;3.15,-8.11,;4.49,-8.87,;5.82,-8.1,;7.15,-8.87,;7.15,-10.41,;8.48,-11.19,;5.82,-11.18,;4.49,-10.41,)|
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n/an/a 2.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50574860
PNG
(CHEMBL4859017)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(8.47,-3.48,;7.14,-4.25,;5.8,-3.49,;4.47,-4.26,;4.48,-5.79,;5.81,-6.57,;7.15,-5.79,;8.48,-6.56,;8.48,-8.1,;9.81,-8.87,;11.14,-8.09,;12.48,-8.86,;11.14,-6.54,;9.8,-5.78,;12.46,-5.77,;12.46,-4.23,;13.8,-6.53,;14.57,-7.86,;15.34,-6.52,;3.14,-6.56,;1.6,-6.56,;2.38,-5.23,;3.15,-8.11,;4.49,-8.87,;5.82,-8.1,;7.15,-8.87,;7.15,-10.41,;8.48,-11.19,;5.82,-11.18,;4.49,-10.41,)|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair